aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13411 | 3.15 | 274.31 | C16H12N5 | C1=Nc2c(ncnc2NCc2ccc3ccccc3c2)[N]1 |
|
AD13412 | 2.25 | 699.53 | C29H29O11N6P2 | COc1cccc(C(=O)NC2C(O)C(COP(=O)(O)OP(=O)([O-])O)OC2n2cnc3c(NCc4cccc5ccccc45)ncnc32)c1 |
|
AD13413 | 4.2 | 391.44 | C19H15O2N6S | O=[N+]([O-])c1ccc(CSc2nc(NCc3ccccc3)nc3c2N=C[N]3)cc1 |
|
AD13414 | 2.69 | 228.25 | C14H12O3 | O=C(O)Cc1ccc(-c2ccccc2O)cc1 |
|
AD13415 | 2.41 | 272.26 | C15H12O5 | O=C(C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1O |
|
AD13416 | 2.42 | 331.32 | C16H11ON8 | CNc1nc(-n2cc(-c3nc4ccccc4o3)cn2)nc2c1N=C[N]2 |
|
AD13417 | -3.27 | 458.56 | C20H38O6N6 | CCNC1CC(N)C(OC2OC(CNC(=O)C(C)NC(=O)C(C)N)=CCC2N)C(O)C1O |
|
AD13418 | 0.44 | 518.52 | C26H30O11 | COC(=O)C12OCC34C(CC5=C(C)C(=O)C(O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C)C24 |
|
AD13419 | 2.76 | 345.39 | C19H17ON6 | COc1cc(CNC2=Nc3c(N)ncnc3[N]2)ccc1-c1ccccc1 |
|
AD13420 | 1.89 | 128.2 | C6H8OS | COCc1cccs1 |